Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DME3JMH)

• Drug Name: PMID21742770C1 Drug Info
• Synonyms: GTPL8190; BDBM50400690

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1] , [2]

• Cross-matching ID:
  PubChem CID: 71452170
  TTD Drug ID: DME3JMH

Molecule-Related Drug Atlas

Drug(s) Targeting Aurora B messenger RNA (AURKB mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PHA-739358	DMGYBZI	Prostate cancer	2C82.0	Phase 2	[3]
Indirubin-3'-monoxime	DMLRQH0	Discovery agent	N.A.	Investigative	[4]
SU 6656	DMF1P6W	Discovery agent	N.A.	Investigative	[5]
6-bromoindirubin-3-oxime	DM12WYV	Discovery agent	N.A.	Investigative	[4]
7-fluoroindirubin-3-oxime	DMQD34N	Discovery agent	N.A.	Investigative	[4]
Indirubin-3-acetoxime	DM3UR1E	Discovery agent	N.A.	Investigative	[4]
CGP-57380	DMFPOUC	Discovery agent	N.A.	Investigative	[5]
PMID20855207C25	DMNEB6J	Discovery agent	N.A.	Investigative	[6]
Indirubin-3-methoxime	DMZ5ODC	Discovery agent	N.A.	Investigative	[4]
4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine	DM9MPHF	Discovery agent	N.A.	Investigative	[7]

Drug(s) Targeting Fungal Protein kinase A (Fung ypkA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
BALANOL	DMDLN9E	N. A.	N. A.	Terminated	[8]
4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol	DMSKJ1X	Discovery agent	N.A.	Investigative	[9]
Ro-4396686	DM5DMCH	Discovery agent	N.A.	Investigative	[10]
PMID20005102C1	DMMESBW	Discovery agent	N.A.	Investigative	[11]
[3H]cAMP	DMZRQU7	Discovery agent	N.A.	Investigative	[12]
PMID19364658C33	DMSE1C3	Discovery agent	N.A.	Investigative	[13]
BX-912	DMZA45C	Discovery agent	N.A.	Investigative	[14]
BX-795	DMRIMLJ	Discovery agent	N.A.	Investigative	[14]
Chelerythrine	DMCP1G9	Discovery agent	N.A.	Investigative	[15]
Rp-adenosine 3',5'-cyclic monophosphothioate triethylamine (Rp-cAMPS)	DM1JWGH	Discovery agent	N.A.	Investigative	[16]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aurora B messenger RNA (AURKB mRNA)	TT9RTBL	AURKB_HUMAN	Inhibitor	[2]
Fungal Protein kinase A (Fung ypkA)	TTYVI76	Q56921_YEREN	Inhibitor	[2]
Serine/threonine-protein kinase 33 (STK33)	TTP34DQ	STK33_HUMAN	Inhibitor	[1]

References

• [1] STK33 kinase activity is nonessential in KRAS-dependent cancer cells. Cancer Res. 2011 Sep 1;71(17):5818-26.
• [2] A Potent and Selective Quinoxalinone-Based STK33 Inhibitor Does Not Show Synthetic Lethality in KRAS-Dependent Cells. ACS Med Chem Lett. 2012 Dec 13;3(12):1034-1038.
• [3] Potent and selective Aurora inhibitors identified by the expansion of a novel scaffold for protein kinase inhibition. J Med Chem. 2005 Apr 21;48(8):3080-4.
• [4] An integrated computational approach to the phenomenon of potent and selective inhibition of aurora kinases B and C by a series of 7-substituted in... J Med Chem. 2007 Aug 23;50(17):4027-37.
• [5] The selectivity of protein kinase inhibitors: a further update. Biochem J. 2007 Dec 15;408(3):297-315.
• [6] Discovery of orally bioavailable imidazo[1,2-a]pyrazine-based Aurora kinase inhibitors. Bioorg Med Chem Lett. 2010 Nov 15;20(22):6739-43.
• [7] Discovery of a new series of Aurora inhibitors through truncation of GSK1070916. Bioorg Med Chem Lett. 2010 Apr 15;20(8):2552-5.
• [8] Joys of molecules. 2. Endeavors in chemical biology and medicinal chemistry. J Med Chem. 2005 Sep 8;48(18):5613-38. Address
• [9] 4-arylazo-3,5-diamino-1H-pyrazole CDK inhibitors: SAR study, crystal structure in complex with CDK2, selectivity, and cellular effects. J Med Chem. 2006 Nov 2;49(22):6500-9.
• [10] Biological evaluation of a multi-targeted small molecule inhibitor of tumor-induced angiogenesis. Bioorg Med Chem Lett. 2006 Apr 1;16(7):1950-3.
• [11] 2,3,5-Trisubstituted pyridines as selective AKT inhibitors. Part II: Improved drug-like properties and kinase selectivity from azaindazoles. Bioorg Med Chem Lett. 2010 Jan 15;20(2):679-83.
• [12] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1694).
• [13] Identification and SAR of squarate inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2). Bioorg Med Chem. 2009 May 1;17(9):3342-51.
• [14] Novel small molecule inhibitors of 3-phosphoinositide-dependent kinase-1. J Biol Chem. 2005 May 20;280(20):19867-74.
• [15] A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. Proc Natl Acad Sci U S A. 2007 Dec 18;104(51):20523-8.
• [16] Inhibition of protein kinase A activity interferes with long-term, but not short-term, memory of conditioned taste aversions. Behav Neurosci. 2002 Dec;116(6):1070-4.